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| Other Sizes |
| Targets |
4-Isopropoxyphenylboronic acid does not have a defined pharmacological target as it is a chemical reagent rather than a therapeutic agent. Its primary function is as a boronic acid reagent for organic synthesis. Boronic acids can form reversible covalent bonds with diols and are used in the development of sensors and drug delivery systems. The compound is used in the synthesis of glyco-porphyrin derivatives with in vitro photo-cytotoxicity for photodynamic therapy applications.
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| ln Vitro |
No direct in vitro pharmacological activity data are available for 4-isopropoxyphenylboronic acid as it is a synthetic reagent. The compound is used as a reactant in microwave-mediated click-chemistry synthesis of glyco-porphyrin derivatives that exhibit in vitro photo-cytotoxicity for photodynamic therapy. Its biological activity is assessed through the final compounds synthesized from it rather than the boronic acid itself.
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| ln Vivo |
No in vivo pharmacological activity data exist for 4-isopropoxyphenylboronic acid as it is not a therapeutic agent. The compound is used in organic synthesis and medicinal chemistry as a reagent for Suzuki-Miyaura cross-coupling reactions. It is not administered directly to animals. Its derivatives and the compounds synthesized from it may be evaluated in animal models depending on the research objectives.
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| Enzyme Assay |
For non-cellular assays, 4-isopropoxyphenylboronic acid is characterized by standard analytical techniques including NMR, HPLC, and mass spectrometry to confirm identity and purity. The compound can be evaluated in Suzuki-Miyaura cross-coupling reactions as a boronic acid partner. Typical protocols involve reacting the boronic acid with an aryl halide in the presence of a palladium catalyst and base in an appropriate solvent system. Reaction progress is monitored by TLC or HPLC. Purity is typically ≥95%.
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| Cell Assay |
4-Isopropoxyphenylboronic acid is not typically used in direct cell-based assays as it is a chemical reagent for synthesis. The compound is used as a building block for synthesizing biologically active molecules that are subsequently tested in cell-based assays. If handled in a biological laboratory context, standard safety precautions should be taken. The compound is a boronic acid derivative with potential reactivity with biological molecules containing diol groups.
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| Animal Protocol |
4-Isopropoxyphenylboronic acid is not used in animal studies as it is a chemical reagent. The compound is handled in chemistry laboratories for organic synthesis applications. Storage: -20°C. The compound should be kept in a cool, dry place protected from light. Standard handling procedures for organoboron compounds should be followed. The reagent is stable under recommended storage conditions.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable for 4-isopropoxyphenylboronic acid as it is a chemical reagent. The compound has a molecular weight of 180.01 and molecular formula C9H13BO3. Storage: -20°C. The compound is a solid at room temperature. Purity: ≥95%. The isopropoxy group enhances solubility and reactivity compared to other boronic acids. The compound is supplied for research use only.
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| Toxicity/Toxicokinetics |
Toxicological data for 4-isopropoxyphenylboronic acid are limited as it is a chemical reagent. The compound is for research use only and not for therapeutic use. Standard laboratory safety practices should be followed when handling this chemical. Boronic acids are generally considered to have low acute toxicity, but specific LD50 values and detailed toxicological profiles have not been established in the literature. Appropriate personal protective equipment should be worn when handling.
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| Additional Infomation |
4-Isopropoxyphenylboronic acid (CAS 153624-46-5) is a key organoboron compound used in Suzuki-Miyaura cross-coupling reactions. It is also known as 4-isopropoxybenzeneboronic acid and (4-isopropyloxyphenyl)boronic acid. The compound is used in medicinal chemistry and the synthesis of glyco-porphyrin derivatives for photodynamic therapy applications. Its ability to form stable complexes with diols makes it valuable for sensor and drug delivery system development. No clinical trials or therapeutic approvals exist.
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| Molecular Formula |
C9H13BO3
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|---|---|
| Molecular Weight |
180.01
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| Exact Mass |
180.095
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| CAS # |
153624-46-5
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| PubChem CID |
3698726
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
321.9±44.0 °C at 760 mmHg
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| Melting Point |
150-154°C
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| Flash Point |
148.5±28.4 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.511
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| LogP |
2.38
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
13
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| Complexity |
142
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C1C([H])=C([H])C(B(O[H])O[H])=C([H])C=1[H])C([H])(C([H])([H])[H])C([H])([H])[H]
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| InChi Key |
CJUHQADBFQRIMC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H13BO3/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7,11-12H,1-2H3
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| Chemical Name |
(4-propan-2-yloxyphenyl)boronic acid
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.5552 mL | 27.7762 mL | 55.5525 mL | |
| 5 mM | 1.1110 mL | 5.5552 mL | 11.1105 mL | |
| 10 mM | 0.5555 mL | 2.7776 mL | 5.5552 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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